3,5,5-Trimethylhexyl octadec-9-enoate
TL;DR: 3,5,5-Trimethylhexyl octadec-9-enoate (CAS 94133-86-5) is a chemical compound with molecular formula C27H52O2 and molecular weight 408.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethylhexyl octadec-9-enoate
Also Known As: 3,5,5-Trimethylhexyl oleate
| Molecular Formula | C27H52O2 |
|---|---|
| Molecular Weight | 408.40 g/mol |
| LogP | 9.0295 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 408.39673 |
| Heavy Atoms | 29 |
| Complexity | 391.8322 |
Chemical Identifiers
| CAS Number | 94133-86-5 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)CC(C)(C)C |
Product Overview
3,5,5-Trimethylhexyl octadec-9-enoate (CAS 94133-86-5), with molecular formula C27H52O2 and molecular weight 408.40 g/mol. IUPAC: 3,5,5-trimethylhexyl octadec-9-enoate.
Chemical Property Profile of 3,5,5-Trimethylhexyl octadec-9-enoate
Property Insights of 3,5,5-Trimethylhexyl octadec-9-enoate
The XLogP value of 9.0295 indicates that 3,5,5-Trimethylhexyl octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,5,5-Trimethylhexyl octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethylhexyl octadec-9-enoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5,5-Trimethylhexyl octadec-9-enoate?
The CAS number of 3,5,5-Trimethylhexyl octadec-9-enoate is 94133-86-5.
What is the molecular formula of 3,5,5-Trimethylhexyl octadec-9-enoate?
The molecular formula of 3,5,5-Trimethylhexyl octadec-9-enoate is C27H52O2.
What is the molecular weight of 3,5,5-Trimethylhexyl octadec-9-enoate?
The molecular weight of 3,5,5-Trimethylhexyl octadec-9-enoate is 408.40 g/mol.
Where can I buy 3,5,5-Trimethylhexyl octadec-9-enoate?
You can request a quote for 3,5,5-Trimethylhexyl octadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethylhexyl octadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethylhexyl octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.